Warburganal

Base Information

• Chemical Name: Warburganal
• CAS No.: 62994-47-2
• Molecular Formula: C15H22 O3
• Molecular Weight: 250.338
• NSC Number: 711690
• UNII: 4A48Y1F67H
• DSSTox Substance ID: DTXSID20212204
• Nikkaji Number: J20.201K
• Wikidata: Q27108559
• Metabolomics Workbench ID: 67885
• ChEMBL ID: CHEMBL452492
• Mol file: 62994-47-2.mol

Synonyms:warburganal

Chemical Property of Warburganal

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 98-99°
• Refractive Index: 1.601
• Boiling Point: 374.402°C at 760 mmHg
• Flash Point: 194.411°C
• PSA: 54.37000
• Density: 1.184g/cm³
• LogP: 2.27800
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.15689456
• Heavy Atom Count: 18
• Complexity: 410

Purity/Quality:

97% ^*data from raw suppliers

WARBURGANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC2(C1CC=C(C2(C=O)O)C=O)C)C
• Isomeric SMILES: C[C@]12CCCC([C@@H]1CC=C([C@@]2(C=O)O)C=O)(C)C

Technology Process of Warburganal

There total 66 articles about Warburganal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

7-drimen-9α,11,12-triol (185608-65-5) → warburganal (62994-47-2)

Guidance literature:

With oxalyl dichloride; triethylamine; In dichloromethane; dimethyl sulfoxide; at -60 ℃; for 0.916667h;

DOI:10.1016/S0040-4020(01)85710-0

Reference yield: 96.0%

(-)-drim-7-ene-9α,11,12-triol (85202-02-4) → warburganal (62994-47-2)

Guidance literature:

Swern oxidation;

DOI:10.1016/S0040-4039(00)73098-X

Reference yield: 94.0%

(1S,4aS,8aS)-2-(1,3-dioxolan-2-yl)-1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-1-naphthalenecarboxaldehyde (118244-95-4) → warburganal (62994-47-2)

Guidance literature:

With toluene-4-sulfonic acid; In acetone; for 0.333333h; Ambient temperature;

upstream raw materials:

(1S,4aS,8aS)-2-[1,3]Dioxan-2-yl-1-hydroxy-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalene-1-carbaldehyde

(-)-drim-7-ene-9α,11,12-triol

(1S,4aS,8aS)-2-(1,3-dioxolan-2-yl)-1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-1-naphthalenecarboxaldehyde

7-drimen-9α,11,12-triol